(E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol

C17H32O2Si — CID 165155754

IUPAC(E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol
SMILESC/C(=C\C12CC(C(C)O[Si](C)(C)C(C)(C)C)(C1)C2)CO
InChIInChI=1S/C17H32O2Si/c1-13(9-18)8-16-10-17(11-16,12-16)14(2)19-20(6,7)15(3,4)5/h8,14,18H,9-12H2,1-7H3/b13-8+
InChIKeyVHINEXIBLBRENN-MDWZMJQESA-N
MW296.53 g/mol
LogP4.51
Rot. Bonds5

About (E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol

(E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol (PubChem CID 165155754) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol
PubChem CID165155754
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol
SMILESC/C(=C\C12CC(C(C)O[Si](C)(C)C(C)(C)C)(C1)C2)CO
InChIInChI=1S/C17H32O2Si/c1-13(9-18)8-16-10-17(11-16,12-16)14(2)19-20(6,7)15(3,4)5/h8,14,18H,9-12H2,1-7H3/b13-8+
InChIKeyVHINEXIBLBRENN-MDWZMJQESA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,2R,3R)-2,4,6,6-tetramethyl-1-triethylsilyloxyhept-4-en-3-ol
CID 102289950
4-(t-Butyldimethylsilyloxymethyl)-3,4-dimethyl-cyclo-pent-2-enol
CID 129825837
(E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol
CID 134965208
(1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol
CID 138969078
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol
CID 67102119
5-(Tert-butyldimethylsilanyloxy)-5-(1-propylcyclobutyl)pent-2-en-1-ol
CID 67102120
6-[Tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol
CID 91552534
(E)-2-methyl-3-[3-[2-tri(propan-2-yl)silyloxyethyl]-1-bicyclo[1.1.1]pentanyl]prop-2-en-1-ol
CID 165155744
(E,4R,5S,7S)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethyloct-2-en-1-ol
CID 173556356
(E,4R,5S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethyloct-2-en-1-ol
CID 173556366
(E,5R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyloct-2-en-1-ol
CID 173556373
(E,4S,5R,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethyloct-2-en-1-ol
CID 173556381

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol?
The IUPAC name of (E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol (CID 165155754) is (E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol?
The canonical SMILES for (E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol is C/C(=C\C12CC(C(C)O[Si](C)(C)C(C)(C)C)(C1)C2)CO.
What is the InChIKey of (E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol?
The InChIKey is VHINEXIBLBRENN-MDWZMJQESA-N. The full InChI is InChI=1S/C17H32O2Si/c1-13(9-18)8-16-10-17(11-16,12-16)14(2)19-20(6,7)15(3,4)5/h8,14,18H,9-12H2,1-7H3/b13-8+.
What are the key properties of (E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol?
(E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol has a molecular weight of 296.53 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 165155754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).